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Volume 65 
Part 1 
Page m106  
January 2009  

Received 13 December 2008
Accepted 14 December 2008
Online 20 December 2008

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.005 Å
R = 0.034
wR = 0.097
Data-to-parameter ratio = 11.8
Details
Open access

Diaquabis(5-methylpyridine-2-carboxylato-[kappa]2N,O)zinc(II)

aCollege of Bioengineering, Weifang University, Weifang 261061, People's Republic of China
Correspondence e-mail: taixishi@lzu.edu.cn

In the title compound, [Zn(C7H6NO2)2(H2O)2], the Zn atom (site symmetry [\overline{1}]) adopts a distorted trans-ZnN2O4 octahedral coordination arising from two N,O-bidentate 5-methylpyridine-2-carboxylate ligands and two water molecules. In the crystal structure, molecules form a layered network linked by O-H...O hydrogen bonds.

Related literature

For background, see: Hagrman et al. (1998[Hagrman, D., Hammond, R. P. & Haushalter, R. (1998). Chem. Mater. 10, 2091-2096.]); Ranford et al. (1998[Ranford, J. D., Vittal, J. J. & Wang, Y. M. (1998). Inorg. Chem. 37, 1226-1231.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C7H6NO2)2(H2O)2]

  • Mr = 373.66

  • Triclinic, [P \overline 1]

  • a = 5.1703 (6) Å

  • b = 6.4620 (10) Å

  • c = 12.2781 (14) Å

  • [alpha] = 104.678 (2)°

  • [beta] = 90.646 (1)°

  • [gamma] = 109.493 (2)°

  • V = 372.01 (8) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.68 mm-1

  • T = 298 (2) K

  • 0.49 × 0.46 × 0.27 mm

Data collection
  • Bruker SMART CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000[Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.493, Tmax = 0.659

  • 1917 measured reflections

  • 1275 independent reflections

  • 1260 reflections with I > 2[sigma](I)

  • Rint = 0.013

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.097

  • S = 1.15

  • 1275 reflections

  • 108 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.63 e Å-3

  • [Delta][rho]min = -0.60 e Å-3

Table 1
Selected bond lengths (Å)

Zn1-O1 2.104 (2)
Zn1-O3 2.134 (2)
Zn1-N1 2.116 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3A...O2i 0.85 1.88 2.693 (4) 160
O3-H3B...O1ii 0.85 1.94 2.757 (3) 160
Symmetry codes: (i) -x+1, -y, -z+1; (ii) x-1, y, z.

Data collection: SMART (Bruker, 2000[Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB2880 ).


Acknowledgements

The author thanks the Science and Technology Foundation of Weifang (2008-19) for a research grant.

References

Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Hagrman, D., Hammond, R. P. & Haushalter, R. (1998). Chem. Mater. 10, 2091-2096.  [ISI] [CrossRef] [ChemPort]
Ranford, J. D., Vittal, J. J. & Wang, Y. M. (1998). Inorg. Chem. 37, 1226-1231.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2009). E65, m106  [ doi:10.1107/S1600536808042530 ]

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